Semi-empirical lcao band structure calculation on the transition of diamond into the metallic state under pressure |
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| Authors: | C. Weigel R.P. Messmer J.W. Corbett |
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| Affiliation: | 1. Department of Physics, State University of New York at Albany, Albany, New York 12222, U.S.A.;2. General Electric Corporate Research and Development, Schenectady, New York 12301, U.S.A. |
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| Abstract: | The band structure for tetragonally distorted diamond is calculated by the Extended Hückel Theory. The indirect band gap of diamond shrinks with increasing strain and vanishes at ezz = -0.17. This result is in very good agreement with high pressure experiments on diamond of Vereshchagin et al. as well as with theoretical results for the pressure-temperature phase diagram for diamond by Van Vechten. |
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